(1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol

C7H14N2O3 — CID 10844965

IUPAC(1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol
SMILESN[C@@]12CC[C@@H](N1)[C@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C7H14N2O3/c8-7-2-1-3(9-7)4(10)5(11)6(7)12/h3-6,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKeyKBZOEWOSIUJWIO-UOYQFSTFSA-N
MW174.20 g/mol
LogP-2.51
Rot. Bonds

About (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol

(1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol (PubChem CID 10844965) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol.

Molecular Properties

Compound Name(1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol
PubChem CID10844965
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol
SMILESN[C@@]12CC[C@@H](N1)[C@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C7H14N2O3/c8-7-2-1-3(9-7)4(10)5(11)6(7)12/h3-6,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKeyKBZOEWOSIUJWIO-UOYQFSTFSA-N
XLogP-2.51
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol with MolForge

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Related Compounds

(1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
CID 10313337
5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
CID 85195026
(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 102063959
(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
CID 155905217
4-amino-4-propan-2-ylcyclohexan-1-ol
CID 99985687
4-oxaspiro[2.5]octane-6,7,8-triol
CID 123215793
(1R,5R,6S,7R,8R)-6,7,8-trihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one
CID 125126383
(1S,5R,6R,7S,8S)-6,7,8-trihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one
CID 98047609
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
(1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride
CID 139022492
1,2-diaminocyclopentan-1-ol
CID 22410822
methyl 1-amino-3-hydroxy-2-(oxomethylidene)cyclohexane-1-carboxylate
CID 174471264

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The IUPAC name of (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol (CID 10844965) is (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol.
What is the SMILES notation for (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The canonical SMILES for (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol is N[C@@]12CC[C@@H](N1)[C@H](O)[C@@H](O)[C@@H]2O.
What is the InChIKey of (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The InChIKey is KBZOEWOSIUJWIO-UOYQFSTFSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-7-2-1-3(9-7)4(10)5(11)6(7)12/h3-6,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1.
What are the key properties of (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol?
(1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol has a molecular weight of 174.20 g/mol, XLogP of -2.51, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol is sourced from PubChem (CID 10844965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).